| SpectraBase Compound ID | 4DzJBJgWtYY |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-5(8(11)12-2)9-7(10)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10) |
| InChIKey | KIHTUGQKGMWVCV-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EeA5tb7C7pm |
|---|---|
| Name | L-Alanine, N-cyclopropylcarbonyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c1-5(8(11)12-2)9-7(10)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10) |
| InChIKey | KIHTUGQKGMWVCV-UHFFFAOYSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C1CC1C(NC(C(=O)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89204 |